4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-phenyl-indol-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-phenyl-indol-1-ium Openeye Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-phenyl-indol-1-ium CAS Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-phenylindol-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-phenylindol-1-ium Traditional Name: 1,2,3,3-tetramethyl-5-phenyl-indol-1-ium tosylate Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(C1(C)C)C=C(C=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(C1(C)C)C=C(C=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C18H20N.C7H8O3S/c1-13-18(2,3)16-12-15(10-11-17(16)19(13)4)14-8-6-5-7-9-14;1-6-2-4-7(5-3-6)11(8,9)10/h5-12H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1